Chemical Properties of Barbituric acid, 5-methyl-5-phenyl perethylated

InChI

InChI=1S/C15H18N2O3/c1-4-16-12(18)15(3,11-9-7-6-8-10-11)13(19)17(5-2)14(16)20/h6-10H,4-5H2,1-3H3

InChI Key

ZYBMUAGUHQVIEA-UHFFFAOYSA-N

Formula

C15H18N2O3

SMILES

CCN1C(=O)N(CC)C(=O)C(C)(c2ccccc2)C1=O

Molecular Weight¹

274.31

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6141		Relay (... Calculated Property
ΔfG°	-52.64	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-458.62	kJ/mol	Relay (... Calculated Property
ΔvapH°	83.46	kJ/mol	Relay (... Calculated Property
IE	8.75	eV	Relay (... Calculated Property
log10WS	-2.90		Relay (... Calculated Property
logPoct/wat	1.775		Crippen Calculated Property
McVol	212.260	ml/mol	McGowan Calculated Property
Pc	1799.28	kPa	Relay (... Calculated Property ⚠️
Inp	[1861.00; 1861.00]
Inp	1861.00		NIST
Inp	1861.00		NIST
Tboil	599.92	K	Relay (... Calculated Property
Tc	884.29	K	Relay (... Calculated Property
Tfus	366.62	K	Relay (... Calculated Property
Vc	0.770	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Barbituric acid, 5-methyl-5-phenyl perethylated.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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